UCSF

ZINC70306857

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2011 19 Yes

Popular Name: 2-[[[(1S)-1-cyclopentylethyl]amino]methyl]-3H-thieno[3,2-d]pyrimidin-4-one 2-[[[(1S)-1-cyclopentylethyl]ami…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.52 6.03 -52.6 3 4 1 62 278.401 4 ↓
Mid Mid (pH 6-8) 2.52 4.28 -21.11 2 4 0 58 277.393 4 ↓
Mid Mid (pH 6-8) 2.98 3.41 -46.37 2 4 0 65 277.393 4 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.